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github.com/westpa/westpa

WESTPA: The Weighted Ensemble Simulation Toolkit with Parallelization and Analysis
https://github.com/westpa/westpa

WESTPA 1.0 Plothist misc fix

jeremyleung521 opened this pull request over 2 years ago
WESTPA2.0 miscfix for plothist

jeremyleung521 opened this pull request over 2 years ago
Added a new BinlessMapper for WESTPA

atbogetti opened this pull request over 2 years ago
Allowed initial states to be stored when using the HDF5 framework

SHZ66 opened this pull request over 2 years ago
Fixing w_trace for WESTPA 2.0

jeremyleung521 opened this pull request over 2 years ago
modified README for sphinx and project for interim 2.0 dev releases

jeremyleung521 opened this pull request over 2 years ago
WESTPA 2.0 Documentation Fix

jeremyleung521 opened this pull request over 2 years ago
Decoupling all plugins in westext

jeremyleung521 opened this pull request over 2 years ago
port of PR #169 to WESTPA 1.0

jeremyleung521 opened this pull request almost 3 years ago
Added option for constant number of total walkers

atbogetti opened this pull request almost 3 years ago
Making Start States Compatible with the HDF5 Framework

jeremyleung521 opened this pull request almost 3 years ago
Added in the option to specify min/max weight thresholds in west.cfg (Attempt #2)

atbogetti opened this pull request almost 3 years ago
Making sim_manager.initialize() arguments explicit in w_init

jeremyleung521 opened this pull request almost 3 years ago
add python 3.10 to the list for CI

jeremyleung521 opened this pull request almost 3 years ago
Fix for CI failure while linting with black

jeremyleung521 opened this pull request almost 3 years ago
Added in the option to specify min/max weight thresholds in west.cfg

atbogetti opened this pull request almost 3 years ago
Integrated RED scheme rate estimation as the w_red tool.

atbogetti opened this pull request about 3 years ago
Changing y-axis label for plothist 'energy' mode

atbogetti opened this pull request about 3 years ago
Fixed a bug in w_trace that resulted from h5py 3.0 upgrade

atbogetti opened this pull request about 3 years ago
Fix w_trace for h5py 3

jeremyleung521 opened this pull request about 3 years ago
Rolling back binhash fix from #186

jeremyleung521 opened this pull request about 3 years ago
added no-reweight option to w_multi_west

jeremyleung521 opened this pull request about 3 years ago
Kinetics Tool fix (Numpy 1.19 deprecation)

jeremyleung521 opened this pull request about 3 years ago
2020.05 - Bug fixes

jeremyleung521 opened this pull request about 3 years ago
w_bins fix

jeremyleung521 opened this pull request about 3 years ago
WESTPA 2.0 byte string fix

jeremyleung521 opened this pull request about 3 years ago
w_multi_west fix (WESTPA 2.0)

jeremyleung521 opened this pull request over 3 years ago
rsplit error while initializing

jeremyleung521 opened this issue over 3 years ago
Weights are not normalized assertion error

jeremyleung521 opened this issue over 3 years ago
Pcoord Shape Error

jeremyleung521 opened this issue over 3 years ago
Sphinx Documentation

jeremyleung521 opened this pull request over 3 years ago
Executable propagator fails to set loader for dataset with already initialized config

synapticarbors opened this issue about 4 years ago
Notebook launched with w_jupyter throws pickling error when calling w_main()

jdrusso opened this issue over 4 years ago
WESTPA Restructuring

synapticarbors opened this pull request over 4 years ago
Custom weights option for w_pdist

ASinanSaglam opened this pull request almost 6 years ago
bin labels incorrect with RecursiveBinMapper

synapticarbors opened this issue about 10 years ago
`max_run_wallclock` not converted properly depending on format

synapticarbors opened this issue about 10 years ago